3-[[3-[1-(4-methoxyphenyl)ethyl]imidazol-4-yl]methoxycarbonylsulfanyl]propanoic acid

Systemtic Name: 3-[[3-[1-(4-methoxyphenyl)ethyl]imidazol-4-yl]methoxycarbonylsulfanyl]propanoic acid Openeye Name: 3-[[3-[1-(4-methoxyphenyl)ethyl]imidazol-4-yl]methoxycarbonylsulfanyl]propanoic acid CAS Name: 3-[[[3-[1-(4-methoxyphenyl)ethyl]-4-imidazolyl]methoxy-oxomethyl]thio]propanoic acid IUPAC Name: 3-[[3-[1-(4-methoxyphenyl)ethyl]imidazol-4-yl]methoxycarbonylsulfanyl]propanoic acid Traditional Name: 3-[[3-[1-(4-methoxyphenyl)ethyl]imidazol-4-yl]methoxycarbonylthio]propionic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)N2C=NC=C2COC(=O)SCCC(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)N2C=NC=C2COC(=O)SCCC(=O)O

InChI

InChI=1S/C17H20N2O5S/c1-12(13-3-5-15(23-2)6-4-13)19-11-18-9-14(19)10-24-17(22)25-8-7-16(20)21/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,20,21)